SCHEMBL9312290

SCHEMBL9312290

CC=C[C@H]1CC[C@H](c2cnc(-c3ccc(Cl)cc3)nc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.37
KDM1A O60341 1/20 0.35
MAOB P27338 1/20 0.35
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HSD17B10 Q99714 2/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
DEGS1 O15121 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
LMNA P02545 2/20 0.31
DRD2 P14416 1/20 0.31
POLB P06746 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8383632 1.00 HDAC4 (0.37) HDAC4KDM1AMAOBNPC1RAB9A
SCHEMBL8383638 1.00 HDAC4 (0.37) HDAC4KDM1AMAOBNPC1RAB9A
SCHEMBL8034504 0.96 HDAC4 (0.35) HDAC4KDM1AMAOBNPC1RAB9A
SCHEMBL8382655 0.85 S1PR3 (0.36) HDAC4MAOBNPC1RAB9AS1PR1
SCHEMBL8382673 0.85 RAB9A (0.37) HDAC4KDM1AMAOBNPC1RAB9A
SCHEMBL9313858 0.85 RAB9A (0.37) HDAC4KDM1AMAOBNPC1RAB9A
SCHEMBL9311828 0.85 KDM1A (0.50) KDM1AMAOBDEGS1DRD2
SCHEMBL8378151 0.85 KDM1A (0.50) KDM1AMAOBDEGS1DRD2
SCHEMBL8382651 0.85 S1PR3 (0.36) HDAC4MAOBNPC1RAB9AS1PR1
SCHEMBL9312023 0.85 S1PR3 (0.36) HDAC4MAOBNPC1RAB9AS1PR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5292452-A Electrooptical devices; high dielectric anisotropy, low rotation viscosity, short response time HOFFMANN-LA ROCHE INC. (US) 1994-03-08 US disclosed